(3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol

Systemtic Name: (3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol Openeye Name: (3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol CAS Name: (3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol IUPAC Name: (3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol Traditional Name: (3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C)O)O

Isomeric SMILES

CC([C@H]1CC[C@]2([C@@]1([C@@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)O)O

InChI

InChI=1S/C21H36O4/c1-12(22)15-7-9-21(25)16-5-4-13-10-14(23)6-8-19(13,2)17(16)11-18(24)20(15,21)3/h12-18,22-25H,4-11H2,1-3H3/t12?,13-,14-,15+,16+,17-,18+,19-,20-,21-/m0/s1